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Adaptive lower trust level #118

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merged 4 commits into from
Jan 27, 2023

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wanghan-iapcm
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This PR introduce breaking change:

  • introduce convergence key in the explore session of the input script. This key provides the method of checking exploration convergence. Now the options are fixed-levels and adaptive-lower.

Main changes of this PR:

  • implement the adaptive lower trust level
  • convergence is reached when the lower trust level does not change much over iterations.
  • remove TrustLevel
  • new interface of ExplorationReportTrustLevels

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codecov-commenter commented Jan 26, 2023

Codecov Report

Base: 83.42% // Head: 84.06% // Increases project coverage by +0.64% 🎉

Coverage data is based on head (bebc9cf) compared to base (dc21dfe).
Patch coverage: 94.89% of modified lines in pull request are covered.

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Additional details and impacted files
@@            Coverage Diff             @@
##           master     #118      +/-   ##
==========================================
+ Coverage   83.42%   84.06%   +0.64%     
==========================================
  Files          72       72              
  Lines        3089     3239     +150     
==========================================
+ Hits         2577     2723     +146     
- Misses        512      516       +4     
Impacted Files Coverage Δ
dpgen2/exploration/selector/__init__.py 100.00% <ø> (ø)
dpgen2/exploration/selector/conf_selector.py 90.00% <ø> (ø)
dpgen2/entrypoint/submit.py 26.44% <14.28%> (+0.30%) ⬆️
dpgen2/exploration/report/report_adaptive_lower.py 97.35% <97.35%> (ø)
dpgen2/entrypoint/args.py 90.83% <100.00%> (+0.23%) ⬆️
dpgen2/exploration/report/__init__.py 100.00% <100.00%> (ø)
dpgen2/exploration/report/report.py 75.00% <100.00%> (ø)
dpgen2/exploration/report/report_trust_levels.py 98.37% <100.00%> (+0.17%) ⬆️
...ion/scheduler/convergence_check_stage_scheduler.py 96.49% <100.00%> (ø)
dpgen2/exploration/scheduler/scheduler.py 98.40% <100.00%> (ø)
... and 2 more

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def accurate_ratio(
self,
tag = None,
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I don't quite understand what tag is used for.

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It is reserved for further use, e.g. we want to calculate the accurate ratio of a certain subgroup of the explored configurations.

Candidate frames. A list of tuples: [(traj_idx, frame_idx), ...]
"""
self.candi_picked = [(ii[0], ii[1]) for ii in self.candi]
if max_nframes and max_nframes < len(self.candi_picked):
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I am not sure if max_nframes = 0 is accepted. But to handle this situation, if max_nframes and ... should be if max_nframes is not None and ....

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Right, fixed, thanks!

@wanghan-iapcm wanghan-iapcm merged commit b51c9ac into deepmodeling:master Jan 27, 2023
@wanghan-iapcm wanghan-iapcm deleted the adapt-lower branch January 27, 2023 03:55
wanghan-iapcm added a commit that referenced this pull request Jan 27, 2023
This PR is to replace #117. It has too many conflicts with #118 and
#119, thus I open this new PR.

Co-authored-by: Han Wang <wang_han@iapcm.ac.cn>
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3 participants